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N-Methyldesloratadine

N-Methyldesloratadine structure

CAS No:
38092-89-6
Formula:
C20H21ClN2
Chemical Name:
N-Methyldesloratadine
Synonyms:
5H-Benzo[5,6]cyclohepta[1,2-b]pyridine,8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-;8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine;N-Methyldesloratadine
Categories:
Analytical Chemistry > Standard

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Description

Red Oil

N-Methyldesloratadine Basic Attributes

Molecular Weight：

324.85

Exact Mass：

324.85

EC Number：

923-094-3

UNII：

70V8053T5G

DSSTox ID：

DTXSID40191502

Characteristics

PSA：

16.1

XLogP3：

4.2

Appearance：

Red oil

Density：

1.2±0.1 g/cm3

Melting Point：

116-119 °C

Boiling Point：

474.3°C at 760 mmHg

Flash Point：

240.7±28.7 °C

Refractive Index：

1.623

Storage Conditions：

-20°C Freezer

Safety Information

Transport codes：

NONH for all modes of transport

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 15 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

N-Methyldesloratadine Use and Manufacturing

An intermediate in the synthesis of Loratadine. Loratadine impurity.

Computed Properties

Molecular Weight:324.8
XLogP3:4.2
Hydrogen Bond Acceptor Count:2
Exact Mass:324.1393264
Monoisotopic Mass:324.1393264
Topological Polar Surface Area:16.1
Heavy Atom Count:23
Complexity:451
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

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